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Compile Data Set for Download or QSAR

Found 241 hits of ic50 for UniProtKB: Q6TY19   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379686
PNG
(US9926281, Compound 212)
Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12-,13-,21-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379670
PNG
(US9926281, Compound 194 | US9926281, Compound 413)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-5-6-27(13(2)11-26)17-8-15(22)7-16(23)9-17/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379681
PNG
(US9926281, Compound 207 | US9926281, Compound 416)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
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n/an/a 6n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379668
PNG
(US9926281, Compound 192 | US9926281, Compound 411)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-17(23)16(22)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 6n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379669
PNG
(US9926281, Compound 193 | US9926281, Compound 412)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H27ClN4O3/c1-13(11-21(15-3-4-15)19(28)23-20(29)24-21)18(27)25-9-10-26(14(2)12-25)17-7-5-16(22)6-8-17/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379653
PNG
(US9926281, Compound 176)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1C
Show InChI InChI=1S/C21H27ClN4O3/c1-13(12-21(15-6-7-15)19(28)23-20(29)24-21)18(27)26-10-8-25(9-11-26)17-5-3-4-16(22)14(17)2/h3-5,13,15H,6-12H2,1-2H3,(H2,23,24,28,29)
PDB

UniProtKB/TrEMBL

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n/an/a 7n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379645
PNG
(US9926281, Compound 167 | US9926281, Compound 408)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 10n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379649
PNG
(US9926281, Compound 172 | US9926281, Compound 409)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12(11-20(13-2-3-13)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)
PDB

UniProtKB/TrEMBL

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n/an/a 11n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379678
PNG
(US9926281, Compound 204)
Show SMILES C[C@H]1CN(CCN1c1cc(Cl)cc(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 11n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379667
PNG
(US9926281, Compound 191)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 11n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM429695
PNG
(5-(3-(4-(3- fluorophenyl) piperidin-1-yl)- 2-methy...)
Show SMILES C[C@@H](C[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCC(CC1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H24FN3O3/c1-12(11-19(2)17(25)21-18(26)22-19)16(24)23-8-6-13(7-9-23)14-4-3-5-15(20)10-14/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,21,22,25,26)/t12-,19+/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H).For the d...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM429696
PNG
(5-(3-(4-(3- chlorophenyl) piperidin-1- yl)-2-methy...)
Show SMILES C[C@@H](C[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCC(CC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H24ClN3O3/c1-12(11-19(2)17(25)21-18(26)22-19)16(24)23-8-6-13(7-9-23)14-4-3-5-15(20)10-14/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,21,22,25,26)/t12-,19+/m0/s1
PDB

UniProtKB/TrEMBL

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PC sid
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US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H).For the d...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471743
PNG
(5-cyclopropyl-5- [3-[(3S)-4-(3,4- difluoro-5- meth...)
Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21?/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471764
PNG
((5S)-5- cyclopropyl- 5-[(2S)-3-[4-(3- fluoro-5-met...)
Show SMILES COc1cc(F)cc(c1)N1CCN(CC1)C(=O)[C@@H](C)C[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C21H27FN4O4/c1-13(12-21(14-3-4-14)19(28)23-20(29)24-21)18(27)26-7-5-25(6-8-26)16-9-15(22)10-17(11-16)30-2/h9-11,13-14H,3-8,12H2,1-2H3,(H2,23,24,28,29)/t13-,21-/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471834
PNG
((5S)-5-[(2S)-3-[4- (3,4-difluoro-5- methoxy- pheny...)
Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN(CC2)c2cc(F)c(F)c(OC)c2)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26F2N4O5/c1-12(10-20(11-30-2)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)13-8-14(21)16(22)15(9-13)31-3/h8-9,12H,4-7,10-11H2,1-3H3,(H2,23,24,28,29)/t12-,20-/m0/s1
PDB

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n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471792
PNG
(5-[3-[4-(4-chloro- 3-methoxy- phenyl)-3-methyl- pi...)
Show SMILES COc1cc(ccc1Cl)N1CCN(C[C@@H]1C)C(=O)[C@@H](C)C[C@@]1(C)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H27ClN4O4/c1-12(10-20(3)18(27)22-19(28)23-20)17(26)24-7-8-25(13(2)11-24)14-5-6-15(21)16(9-14)29-4/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,22,23,27,28)/t12-,13-,20+/m0/s1
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471793
PNG
(5-[3-[(3S)-4-(3,4- difluoro-5- methoxy-phenyl)- 3-...)
Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)[C@@H](C)C[C@@]1(C)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26F2N4O4/c1-11(9-20(3)18(28)23-19(29)24-20)17(27)25-5-6-26(12(2)10-25)13-7-14(21)16(22)15(8-13)30-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,23,24,28,29)/t11-,12-,20+/m0/s1
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471794
PNG
(5-[3-[4-(3,4- difluoro-5- methoxy- phenyl) piperaz...)
Show SMILES COc1cc(cc(F)c1F)N1CCN(CC1)C(=O)[C@@H](C)C[C@@]1(C)NC(=O)NC1=O |r|
Show InChI InChI=1S/C19H24F2N4O4/c1-11(10-19(2)17(27)22-18(28)23-19)16(26)25-6-4-24(5-7-25)12-8-13(20)15(21)14(9-12)29-3/h8-9,11H,4-7,10H2,1-3H3,(H2,22,23,27,28)/t11-,19+/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471828
PNG
((5S)-5-[(2S)-3-[4- (3,4-difluoro-5- methoxy- pheny...)
Show SMILES COc1cc(cc(F)c1F)N1CCN(CC1)C(=O)[C@@H](C)C[C@]1(NC(=O)NC1=O)c1ccccn1 |r|
Show InChI InChI=1S/C23H25F2N5O4/c1-14(13-23(18-5-3-4-6-26-18)21(32)27-22(33)28-23)20(31)30-9-7-29(8-10-30)15-11-16(24)19(25)17(12-15)34-2/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,27,28,32,33)/t14-,23-/m0/s1
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Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM471788
PNG
((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...)
Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1
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Assay Description
TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...


US Patent US10829478 (2020)


BindingDB Entry DOI: 10.7270/Q2X351H2
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379666
PNG
(US9926281, Compound 190)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379692
PNG
(US9926281, Compound 218)
Show SMILES CC(CC1(CCS(C)(=O)=O)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H26Cl2N4O5S/c1-13(12-20(3-8-32(2,30)31)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-10-14(21)9-15(22)11-16/h9-11,13H,3-8,12H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379651
PNG
(US9926281, Compound 174)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cc(F)ccc1C
Show InChI InChI=1S/C21H27FN4O3/c1-13-3-6-16(22)11-17(13)25-7-9-26(10-8-25)18(27)14(2)12-21(15-4-5-15)19(28)23-20(29)24-21/h3,6,11,14-15H,4-5,7-10,12H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379703
PNG
(US9926281, Compound 405 | US9926281, Compound 422)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C19H24ClFN4O3/c1-11(9-19(3)17(27)22-18(28)23-19)16(26)24-6-7-25(12(2)10-24)13-4-5-15(21)14(20)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,22,23,27,28)/t11?,12-,19?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379689
PNG
(US9926281, Compound 215)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H25FN4O3/c1-12(10-19(3)17(26)21-18(27)22-19)16(25)23-7-8-24(13(2)11-23)15-6-4-5-14(20)9-15/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H2,21,22,26,27)/t12?,13-,19?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379704
PNG
(US9926281, Compound 406 | US9926281, Compound 432)
Show SMILES COCC1(CC(C)C(=O)N2CCN([C@@H](C)C2)c2ccc(F)c(Cl)c2)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClFN4O4/c1-12(9-20(11-30-3)18(28)23-19(29)24-20)17(27)25-6-7-26(13(2)10-25)14-4-5-16(22)15(21)8-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H2,23,24,28,29)/t12?,13-,20?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379694
PNG
(US9926281, Compound 233)
Show SMILES COCC1(CC(C)C(=O)N2CCN([C@@H](C)C2)c2cccc(Cl)c2)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H27ClN4O4/c1-13(10-20(12-29-3)18(27)22-19(28)23-20)17(26)24-7-8-25(14(2)11-24)16-6-4-5-15(21)9-16/h4-6,9,13-14H,7-8,10-12H2,1-3H3,(H2,22,23,27,28)/t13?,14-,20?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379650
PNG
(US9926281, Compound 173)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C19H22Cl2N4O3/c20-13-9-14(21)11-15(10-13)24-5-7-25(8-6-24)16(26)3-4-19(12-1-2-12)17(27)22-18(28)23-19/h9-12H,1-8H2,(H2,22,23,27,28)/t19-/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379687
PNG
(US9926281, Compound 213)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H24F2N4O3/c1-11(9-19(3)17(27)22-18(28)23-19)16(26)24-4-5-25(12(2)10-24)15-7-13(20)6-14(21)8-15/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,22,23,27,28)/t11?,12-,19?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379673
PNG
(US9926281, Compound 197)
Show SMILES CSCCC1(CC(C)C(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O
Show InChI InChI=1S/C20H26Cl2N4O3S/c1-13(12-20(3-8-30-2)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-10-14(21)9-15(22)11-16/h9-11,13H,3-8,12H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379698
PNG
(US9926281, Compound 265)
Show SMILES C[C@@H](C[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C19H24ClFN4O3/c1-11(9-19(3)17(27)22-18(28)23-19)16(26)24-6-7-25(12(2)10-24)13-4-5-15(21)14(20)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,22,23,27,28)/t11-,12-,19+/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379652
PNG
(US9926281, Compound 175)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(F)ccc1C
Show InChI InChI=1S/C19H25FN4O3/c1-12-4-5-14(20)10-15(12)23-6-8-24(9-7-23)16(25)13(2)11-19(3)17(26)21-18(27)22-19/h4-5,10,13H,6-9,11H2,1-3H3,(H2,21,22,26,27)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379697
PNG
(US9926281, Compound 255)
Show SMILES C[C@H]1CN(CCN1c1cc(F)cc(F)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379685
PNG
(US9926281, Compound 211)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H22F2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-7-5-23(6-8-24)12-3-4-13(19)14(20)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H2,21,22,26,27)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379620
PNG
(US9926281, Compound 121)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN4O3/c1-13(12-20(14-5-6-14)18(27)22-19(28)23-20)17(26)25-9-7-24(8-10-25)16-4-2-3-15(21)11-16/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379606
PNG
(US9926281, Compound 103)
Show SMILES Fc1cccc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)c1ccccn1
Show InChI InChI=1S/C21H22FN5O3/c22-15-4-3-5-16(14-15)26-10-12-27(13-11-26)18(28)7-8-21(17-6-1-2-9-23-17)19(29)24-20(30)25-21/h1-6,9,14H,7-8,10-13H2,(H2,24,25,29,30)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379677
PNG
(US9926281, Compound 203)
Show SMILES C[C@H]1CN(CCN1c1cccc(F)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H25FN4O3/c1-13-12-24(9-10-25(13)16-4-2-3-15(21)11-16)17(26)7-8-20(14-5-6-14)18(27)22-19(28)23-20/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)/t13-,20-/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379679
PNG
(US9926281, Compound 205)
Show SMILES C[C@H]1CN(CCN1c1ccc(F)c(F)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24F2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379647
PNG
(US9926281, Compound 169)
Show SMILES C[C@H]1CN(CCN1c1cc(F)cc(Cl)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24ClFN4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379557
PNG
(US9926281, Compound 36)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O3/c1-13-2-5-15(21)12-16(13)24-8-10-25(11-9-24)17(26)6-7-20(14-3-4-14)18(27)22-19(28)23-20/h2,5,12,14H,3-4,6-11H2,1H3,(H2,22,23,27,28)
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379676
PNG
(US9926281, Compound 200 | US9926281, Compound 219)
Show SMILES CC(CC1NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H20Cl2N4O3/c1-10(6-14-15(24)21-17(26)20-14)16(25)23-4-2-22(3-5-23)13-8-11(18)7-12(19)9-13/h7-10,14H,2-6H2,1H3,(H2,20,21,24,26)
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379619
PNG
(US9926281, Compound 116)
Show SMILES Cc1ccc(F)cc1N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C20H25FN4O3/c1-13-2-5-15(21)12-16(13)24-8-10-25(11-9-24)17(26)6-7-20(14-3-4-14)18(27)22-19(28)23-20/h2,5,12,14H,3-4,6-11H2,1H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379688
PNG
(US9926281, Compound 214)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H25ClN4O3/c1-12(10-19(3)17(26)21-18(27)22-19)16(25)23-7-8-24(13(2)11-23)15-6-4-5-14(20)9-15/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H2,21,22,26,27)/t12?,13-,19?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379656
PNG
(US9926281, Compound 179)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cccc(Cl)c1C
Show InChI InChI=1S/C19H25ClN4O3/c1-12(11-19(3)17(26)21-18(27)22-19)16(25)24-9-7-23(8-10-24)15-6-4-5-14(20)13(15)2/h4-6,12H,7-11H2,1-3H3,(H2,21,22,26,27)
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379701
PNG
(US9926281, Compound 314)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C20H26ClN5O3/c1-12(8-20(14-3-4-14)18(28)23-19(29)24-20)17(27)25-5-6-26(13(2)11-25)16-7-15(21)9-22-10-16/h7,9-10,12-14H,3-6,8,11H2,1-2H3,(H2,23,24,28,29)/t12?,13-,20?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379696
PNG
(US9926281, Compound 249)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CN(C1)C(C)=O)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C23H29F2N5O4/c1-13(9-23(21(33)26-22(34)27-23)16-11-29(12-16)15(3)31)20(32)28-6-7-30(14(2)10-28)17-4-5-18(24)19(25)8-17/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3,(H2,26,27,33,34)/t13?,14-,23?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379641
PNG
(US9926281, Compound 160)
Show SMILES C[C@H]1CN(CCN1c1cc(F)cc(F)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379621
PNG
(US9926281, Compound 124)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O
Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379565
PNG
(US9926281, Compound 55)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C19H22Cl2N4O3/c20-13-9-14(21)11-15(10-13)24-5-7-25(8-6-24)16(26)3-4-19(12-1-2-12)17(27)22-18(28)23-19/h9-12H,1-8H2,(H2,22,23,27,28)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))
BDBM379642
PNG
(US9926281, Compound 161)
Show SMILES C[C@H]1CN(CCN1c1ccc(F)c(F)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24F2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
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